327164 <common-name>N-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]formamide</common-name> <description>N-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]formamide is a chemical compound with the formula C21H23NO5S. It has an average molecular weight of 401.50 g/mol.</description> <cas>2731-23-9</cas> <pubchem-id>17650</pubchem-id> <chemical-formula>C21H23NO5S</chemical-formula> <weight>401.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T06:01:45Z</created-at> <updated-at type="dateTime">2026-08-30T06:01:45Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC</moldb-smiles> <moldb-formula>C21H23NO5S</moldb-formula> <moldb-inchi>InChI=1S/C21H23NO5S/c1-25-17-9-12-5-7-15(22-11-23)14-10-16(24)18(28-4)8-6-13(14)19(12)21(27-3)20(17)26-2/h6,8-11,15H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1</moldb-inchi> <moldb-inchikey>QWMGUEXZTDFFTR-HNNXBMFYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">401.129694</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM323057</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>N-[(7s)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5h-benzo[a]heptalen-7-yl]formamide</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Hydrocarbon derivatives</superklass> <klass>Tropones</klass> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0277776</sync-id> <structure-inchikey>QWMGUEXZTDFFTR-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000008000000000000000400800000000000020000400008000000000200000000000000000000000000000000000000000000000000000000000000020000800a00300004000000000400000000000000800000040000000100000108000020000000000000000000800105040000040000000000000000000000080000000000000000000080000000000000000000804000200000000080000000000000002000000000000000000000080000000000000010000800000000000024020000000401000201200000000000000000000000000000040000800000000000080400020000000800000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@(������@(������@(������@(������@h��������`�������`�������`������@(������@h�������@(�������(������@(������@h�������@h�������@(������� ������`�������h��������h��������(�������(�������`�������(�������`����������� ��h���h���h���h���h����� � � ����h�� h� �(� �h���h���h���h������� ���� ��(��� ����� �����h��� ��h�B����������������� ������� ����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:36Z</structure-indexed-at> </compound>